[Pw_forum] (no subject)
yccheng.nju at gmail.com
Mon Mar 24 03:55:47 CET 2008
Thank you for your suggestions. When I specify the full path of pw.x, the
MPI with pw.x can run successfully.
Can you give more suggestions to avoid input full path of pw.x to run
2008/3/24, Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>:
> On Mon, 24 Mar 2008, wrote:
> YC> Dear all:
> dear cheng,
> YC> I've successfully compiled parallel version pwscf 3.2.3 &4.0
> on my
> YC> system (suse10 for IA64). The included tests are passed. But I can't
> YC> pw.x with mpi.
> YC> To clearly show my problem, I describe it as follows:
> YC> first, I test the mpi to check whether it can work. It works!
> how did you test it?
> YC> second, I test the pwscf. I run pw.x:$pw.x < al.scf.in >al.scf.out&.
> it can
> YC> work.
> are you _sure_ you compiled a parallel version?
> most MPI libraries do not allow the parallel executable
> to be run without the MPI environment, ie. via mpirun.
> YC> third, I test the mpi with pwscf. I run:$ mpirun -np 10 pw.x <
> al.scf.in >
> YC> al.scf. out &. it can't wrok.
> YC> The errors are:Missing: program name Program pw.x either
> does not
> YC> exist, is not executable, or is an erroneous argument to mpirun.
> is pw.x in your regular search path for exectuables?
> try: which pw.x
> also you can try specifying the full path to pw.x
> finally, you should not use I/O redirection with parallel
> execution. this is not handled portably across MPI implementations.
> better to use the -in flag. to specify the input filename.
> YC> Is there any suggestions to solve this problem?
> YC> sincerely yours
> YC> Cheng YC
> Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
> Center for Molecular Modeling -- University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
> If you make something idiot-proof, the universe creates a better idiot.
Y. C. Cheng
Department of Phyics
P. R. China
Email: yccheng.nju at gmail.com
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